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CHEBI:39713 - 2-amino-4-methylphenol

ChEBI IDCHEBI:39713
ChEBI Name2-amino-4-methylphenol
Stars
DefinitionA hydroxytoluene that is phenol substituted by amino and methyl groups at positions 2 and 4, respectively. It is a metabolite of disperse yellow 3.
Last Modified2 February 2024
DownloadsMolfile
FormulaC7H9NO
Net Charge0
Average Mass123.155
Monoisotopic Mass123.06841
SMILESCc1ccc(O)c(N)c1
InChIInChI=1S/C7H9NO/c1-5-2-3-7(9)6(8)4-5/h2-4,9H,8H2,1H3
InChIKeyZMXYNJXDULEQCK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
sensitiser  A chemical compound that causes a substantial proportion of exposed people or animals to develop an allergic reaction in normal tissue after repeated exposure to the compound.
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-methylphenol (CHEBI:39713) has role sensitiser (CHEBI:139492)
2-amino-4-methylphenol (CHEBI:39713) has role xenobiotic metabolite (CHEBI:76206)
2-amino-4-methylphenol (CHEBI:39713) is a hydroxytoluene (CHEBI:24751)
2-amino-4-methylphenol (CHEBI:39713) is a substituted aniline (CHEBI:48975)
IUPAC Name 
2-amino-4-methylphenol
Synonyms  Source
2-amino-p-cresolPDBeChem
2-hydroxy-5-methylanilineChEBI
3-amino-4-hydroxytolueneChEBI
6-hydroxy-m-toluidineChEBI
1-amino-2-hydroxy-5-methylbenzeneChEBI
1-hydroxy-2-amino-4-methylbenzeneChEBI
Manual XrefsDatabases
2ACPDBeChem
DB04533DrugBank
CPD-7366MetaCyc
Registry NumbersSources
Reaxys:606494Reaxys
CAS:95-84-1ChEBI
Citations